==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 29-JUN-08 3DLR . COMPND 2 MOLECULE: INTEGRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN SPUMARETROVIRUS; . AUTHOR E.VALKOV,P.CHEREPANOV . 155 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8557.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 105 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 6 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 54 34.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 1 0 0 0 0 2 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 119 A Q 0 0 217 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -27.3 -11.4 6.0 21.4 2 120 A K > - 0 0 124 1,-0.0 3,-1.6 0, 0.0 29,-0.4 -0.912 360.0 -98.2-125.3 149.7 -11.8 9.7 22.3 3 121 A P T 3 S+ 0 0 42 0, 0.0 26,-0.0 0, 0.0 139,-0.0 -0.407 112.6 22.6 -56.9 144.6 -10.8 13.0 20.8 4 122 A F T 3 S+ 0 0 22 2,-0.3 58,-0.3 1,-0.1 3,-0.2 0.485 90.0 112.2 72.0 4.9 -7.6 14.3 22.5 5 123 A D S < S+ 0 0 37 -3,-1.6 58,-1.7 1,-0.3 57,-1.7 0.870 86.1 14.9 -69.1 -39.9 -6.6 10.7 23.6 6 124 A K E -a 63 0A 56 -4,-0.4 24,-3.1 56,-0.2 2,-0.4 -0.995 65.2-161.3-141.8 129.5 -3.6 10.6 21.2 7 125 A F E -aB 64 29A 0 56,-2.3 58,-3.1 -2,-0.4 2,-0.5 -0.921 6.4-155.9-105.9 138.9 -1.7 13.3 19.3 8 126 A F E -aB 65 28A 51 20,-2.6 20,-3.0 -2,-0.4 2,-0.3 -0.969 23.7-171.9-105.3 127.2 0.5 12.6 16.3 9 127 A I E + B 0 27A 7 56,-3.0 58,-0.4 -2,-0.5 2,-0.3 -0.921 15.6 148.9-128.6 149.8 3.1 15.4 15.9 10 128 A D E - B 0 26A 38 16,-1.8 16,-3.3 -2,-0.3 2,-0.4 -0.972 36.5-112.7-166.3 159.1 5.7 16.4 13.3 11 129 A Y E - B 0 25A 28 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.860 18.2-162.2-102.8 139.8 7.5 19.4 11.8 12 130 A I E - B 0 24A 12 12,-2.3 12,-2.7 -2,-0.4 3,-0.2 -0.987 39.9 -45.3-114.5 133.2 7.1 20.6 8.2 13 131 A G - 0 0 38 -2,-0.4 10,-0.2 1,-0.3 2,-0.1 -0.764 31.8-100.9 142.8-179.3 9.8 22.9 6.9 14 132 A P + 0 0 89 0, 0.0 -1,-0.3 0, 0.0 9,-0.2 0.401 56.0 174.4 -78.0 154.4 11.7 24.9 6.3 15 133 A L - 0 0 21 7,-2.5 3,-0.1 -3,-0.2 98,-0.0 -0.711 49.2 -68.4-111.1 168.3 9.5 27.1 4.1 16 134 A P S S- 0 0 45 0, 0.0 -1,-0.1 0, 0.0 99,-0.1 -0.306 71.4 -88.1 -54.8 141.5 10.5 30.5 2.7 17 135 A P - 0 0 86 0, 0.0 2,-0.3 0, 0.0 5,-0.2 -0.327 51.4-179.5 -55.8 137.0 10.7 32.9 5.6 18 136 A S B > S-E 21 0B 1 3,-1.8 3,-2.4 -3,-0.1 96,-0.1 -0.917 72.3 -23.4-145.6 110.1 7.2 34.5 6.3 19 137 A Q T 3 S- 0 0 113 -2,-0.3 3,-0.1 1,-0.3 95,-0.0 0.821 126.8 -54.9 50.6 34.4 6.9 37.1 9.1 20 138 A G T 3 S+ 0 0 45 1,-0.3 2,-0.3 21,-0.0 -1,-0.3 0.347 112.4 127.7 81.2 -6.4 10.1 35.4 10.5 21 139 A Y B < +E 18 0B 59 -3,-2.4 -3,-1.8 1,-0.1 -1,-0.3 -0.684 24.8 163.9 -87.9 139.3 8.4 32.0 10.5 22 140 A L + 0 0 56 18,-2.0 -7,-2.5 -2,-0.3 2,-0.3 0.536 57.3 41.8-124.3 -18.5 10.1 29.1 8.8 23 141 A Y E - C 0 40A 45 17,-2.6 17,-2.6 -9,-0.2 2,-0.4 -0.873 58.5-140.3-137.0 160.9 8.3 25.9 10.1 24 142 A V E -BC 12 39A 0 -12,-2.7 -12,-2.3 -2,-0.3 2,-0.6 -0.976 12.9-146.8-127.2 119.2 4.9 24.4 10.9 25 143 A L E -BC 11 38A 0 13,-3.6 13,-2.6 -2,-0.4 2,-0.5 -0.741 20.7-154.4 -76.9 121.6 4.3 22.2 13.9 26 144 A V E -BC 10 37A 0 -16,-3.3 -16,-1.8 -2,-0.6 2,-0.5 -0.911 13.6-176.6-103.9 122.9 1.6 19.7 12.8 27 145 A V E -BC 9 36A 0 9,-2.5 9,-2.7 -2,-0.5 2,-0.5 -0.988 2.9-172.0-120.7 119.9 -0.6 18.1 15.5 28 146 A V E -BC 8 35A 1 -20,-3.0 -20,-2.6 -2,-0.5 2,-0.3 -0.962 20.7-133.3-116.7 120.4 -3.1 15.5 14.4 29 147 A D E > -B 7 0A 0 5,-3.1 4,-1.7 -2,-0.5 -22,-0.2 -0.546 15.4-141.0 -67.2 131.9 -5.7 14.1 16.8 30 148 A G T 4 S+ 0 0 36 -24,-3.1 -1,-0.1 -2,-0.3 -23,-0.1 0.911 92.8 40.2 -64.1 -47.3 -5.8 10.3 16.6 31 149 A X T 4 S+ 0 0 99 -29,-0.4 -1,-0.2 -25,-0.3 -24,-0.0 0.917 129.2 24.4 -71.2 -47.0 -9.6 9.7 16.9 32 150 A T T 4 S- 0 0 5 -30,-0.1 109,-0.2 2,-0.1 -2,-0.2 0.644 91.2-129.7 -96.2 -17.9 -11.0 12.6 14.8 33 151 A G < + 0 0 20 -4,-1.7 2,-0.2 1,-0.3 -3,-0.1 0.591 50.6 161.5 69.0 12.7 -8.0 13.3 12.4 34 152 A F - 0 0 11 104,-0.2 -5,-3.1 103,-0.1 2,-0.4 -0.466 26.0-149.1 -65.9 134.0 -8.4 17.0 13.4 35 153 A T E -C 28 0A 0 -7,-0.2 2,-0.4 88,-0.2 -7,-0.2 -0.916 14.4-166.2-114.5 130.8 -5.3 19.0 12.6 36 154 A W E -C 27 0A 28 -9,-2.7 -9,-2.5 -2,-0.4 2,-0.5 -0.947 10.9-157.3-107.9 136.7 -3.8 22.0 14.4 37 155 A L E -C 26 0A 9 -2,-0.4 -11,-0.2 -11,-0.2 86,-0.1 -0.967 8.6-174.1-117.6 121.0 -1.1 23.9 12.6 38 156 A Y E -C 25 0A 39 -13,-2.6 -13,-3.6 -2,-0.5 2,-0.2 -0.951 17.4-141.0-117.6 118.4 1.3 26.1 14.5 39 157 A P E +C 24 0A 34 0, 0.0 2,-0.3 0, 0.0 -15,-0.2 -0.542 27.9 178.7 -73.7 136.0 3.9 28.3 12.7 40 158 A T E -C 23 0A 7 -17,-2.6 -17,-2.6 -2,-0.2 -18,-2.0 -0.931 38.4-133.2-136.0 159.9 7.3 28.4 14.4 41 159 A K S S+ 0 0 116 -2,-0.3 -1,-0.1 -20,-0.3 -17,-0.1 0.770 94.5 13.5 -79.4 -29.6 10.7 30.1 13.8 42 160 A A S S- 0 0 39 2,-0.1 2,-1.4 -19,-0.1 -1,-0.2 -0.951 77.6-112.1-143.6 156.5 12.6 26.8 14.4 43 161 A P S S+ 0 0 53 0, 0.0 28,-0.4 0, 0.0 2,-0.2 -0.389 72.3 144.4 -85.8 60.7 11.8 23.1 14.7 44 162 A S > - 0 0 37 -2,-1.4 4,-1.9 1,-0.1 5,-0.1 -0.525 67.4-118.4-109.1 160.2 12.7 23.3 18.4 45 163 A T H > S+ 0 0 23 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.917 115.1 52.8 -55.7 -46.3 11.7 21.8 21.8 46 164 A S H > S+ 0 0 73 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.896 110.2 45.6 -64.6 -38.1 10.7 25.3 23.1 47 165 A A H > S+ 0 0 17 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.848 113.5 51.5 -69.8 -34.0 8.4 26.1 20.1 48 166 A T H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.941 112.3 45.3 -63.7 -48.4 6.9 22.7 20.4 49 167 A V H X S+ 0 0 23 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.922 111.1 53.2 -62.9 -48.3 6.2 23.2 24.1 50 168 A K H X S+ 0 0 143 -4,-2.6 4,-1.1 -5,-0.2 -1,-0.2 0.939 115.0 41.0 -49.1 -54.3 4.9 26.8 23.5 51 169 A S H X S+ 0 0 13 -4,-2.2 4,-2.1 1,-0.2 3,-0.2 0.897 115.0 50.3 -64.6 -44.4 2.3 25.5 20.9 52 170 A L H X S+ 0 0 0 -4,-2.8 4,-3.2 1,-0.2 -1,-0.2 0.799 104.0 57.9 -70.1 -29.8 1.4 22.3 22.9 53 171 A N H < S+ 0 0 57 -4,-2.6 4,-0.5 2,-0.2 -1,-0.2 0.852 107.7 49.5 -62.2 -35.9 0.7 24.3 26.1 54 172 A V H >< S+ 0 0 91 -4,-1.1 3,-0.8 -5,-0.2 -2,-0.2 0.945 116.0 41.9 -65.0 -49.1 -1.8 26.3 24.1 55 173 A L H >X S+ 0 0 3 -4,-2.1 3,-1.9 1,-0.2 4,-0.9 0.903 110.8 54.4 -68.0 -38.9 -3.4 23.1 22.8 56 174 A T T 3< S+ 0 0 17 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.524 88.3 78.7 -79.8 -4.0 -3.3 21.2 26.2 57 175 A S T <4 S+ 0 0 99 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.620 98.6 45.9 -64.8 -19.3 -5.1 24.1 27.7 58 176 A I T <4 S- 0 0 124 -3,-1.9 2,-0.3 1,-0.4 -2,-0.2 0.865 136.3 -27.7 -88.9 -51.2 -8.2 22.4 26.0 59 177 A A < - 0 0 36 -4,-0.9 -1,-0.4 -55,-0.0 -2,-0.1 -0.949 59.5-115.1-162.7 153.8 -7.3 18.8 27.1 60 178 A I - 0 0 95 -2,-0.3 2,-0.0 -3,-0.1 -4,-0.0 -0.810 32.2-133.5 -96.3 122.5 -4.3 16.8 28.0 61 179 A P - 0 0 2 0, 0.0 -56,-0.2 0, 0.0 -55,-0.2 -0.356 2.0-142.7 -69.7 153.5 -3.5 13.9 25.6 62 180 A K S S+ 0 0 131 -57,-1.7 25,-3.0 -58,-0.3 2,-0.4 0.860 85.9 21.2 -79.5 -40.5 -2.7 10.4 27.1 63 181 A V E -ad 6 87A 30 -58,-1.7 -56,-2.3 23,-0.2 2,-0.4 -0.967 59.9-163.1-129.9 143.0 -0.1 9.7 24.4 64 182 A I E -ad 7 88A 1 23,-2.5 25,-3.0 -2,-0.4 2,-0.5 -0.999 13.8-164.0-122.6 126.8 1.9 11.8 22.0 65 183 A H E +ad 8 89A 37 -58,-3.1 -56,-3.0 -2,-0.4 2,-0.3 -0.936 21.0 147.7-110.4 130.7 3.5 10.1 19.0 66 184 A S E - d 0 90A 5 23,-2.4 25,-1.5 -2,-0.5 -56,-0.1 -0.839 43.4 -97.7-140.3-178.3 6.3 11.6 17.0 67 185 A D - 0 0 62 -58,-0.4 5,-0.1 -2,-0.3 -1,-0.1 -0.269 54.9 -84.9 -85.4-172.4 9.4 10.7 14.9 68 186 A Q S S+ 0 0 128 23,-0.7 5,-0.2 -2,-0.1 22,-0.1 0.224 74.1 148.8 -82.6 13.7 13.0 10.9 16.3 69 187 A G >> - 0 0 28 1,-0.1 3,-1.7 3,-0.1 4,-1.3 -0.146 59.2-117.1 -48.4 143.7 13.3 14.6 15.5 70 188 A A H 3> S+ 0 0 84 1,-0.3 4,-0.7 2,-0.2 -1,-0.1 0.776 113.0 62.1 -59.6 -31.9 15.5 16.6 17.9 71 189 A A H 34 S+ 0 0 5 -28,-0.4 -1,-0.3 1,-0.2 6,-0.1 0.835 112.6 37.5 -58.4 -33.3 12.6 18.7 19.1 72 190 A F H <4 S+ 0 0 3 -3,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.670 112.3 52.8 -99.2 -21.7 10.9 15.6 20.4 73 191 A T H < S+ 0 0 66 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.1 0.372 80.3 113.0-101.6 3.4 13.7 13.5 21.8 74 192 A S S X S- 0 0 29 -4,-0.7 4,-2.0 -5,-0.2 5,-0.1 -0.325 74.7-123.8 -71.7 158.3 15.3 16.1 24.1 75 193 A S H > S+ 0 0 86 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.778 112.6 62.1 -74.1 -26.2 15.1 15.6 27.8 76 194 A T H > S+ 0 0 85 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.946 106.6 43.8 -59.5 -48.5 13.4 19.0 28.1 77 195 A F H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.936 113.6 51.6 -62.7 -43.9 10.5 17.6 26.0 78 196 A A H X S+ 0 0 47 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.891 110.2 49.0 -55.9 -46.0 10.5 14.4 28.0 79 197 A E H X S+ 0 0 122 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.916 109.4 52.3 -58.1 -48.7 10.4 16.4 31.3 80 198 A W H X S+ 0 0 11 -4,-2.3 4,-0.9 1,-0.2 -2,-0.2 0.920 112.8 44.8 -55.2 -47.8 7.5 18.5 29.9 81 199 A A H X>S+ 0 0 2 -4,-2.3 5,-3.0 1,-0.2 4,-0.5 0.888 111.4 51.5 -64.9 -44.5 5.5 15.4 29.0 82 200 A K H ><5S+ 0 0 179 -4,-2.4 3,-1.2 1,-0.2 -1,-0.2 0.896 104.6 57.9 -61.8 -41.2 6.2 13.6 32.3 83 201 A E H 3<5S+ 0 0 154 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.800 112.4 41.3 -56.1 -31.9 5.0 16.7 34.3 84 202 A R H 3<5S- 0 0 80 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.448 116.0-112.5 -97.6 -2.4 1.7 16.4 32.5 85 203 A G T <<5 + 0 0 64 -3,-1.2 2,-0.4 -4,-0.5 -3,-0.2 0.753 64.3 153.5 75.1 27.3 1.4 12.6 32.7 86 204 A I < - 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